SCHEMBL10316079

SCHEMBL10316079

Cc1cc(N2CCC(C3CCN(c4nccc(C)n4)CC3)CC2)nc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SORD Q00796 3/20 0.50
KCNH2 Q12809 4/20 0.49
GPR119 Q8TDV5 4/20 0.49
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3614451 0.81 GPR119 (0.71) SORDKCNH2GPR119KDM4EALDH1A1
SCHEMBL3624340 0.79 GPR119 (0.72) SORDKCNH2GPR119KDM4EHSD17B10
SCHEMBL3618525 0.77 GPR119 (0.54) SORDKCNH2GPR119KDM4EALDH1A1
SCHEMBL3648943 0.75 GPR119 (0.55) SORDKCNH2GPR119KMT2A
SCHEMBL29371074 0.75 KDM4E (0.54) SORDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13403157 0.75 KDM4E (0.54) SORDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3615321 0.74 GPR119 (0.50) SORDKCNH2GPR119KDM4EALDH1A1
SCHEMBL3625222 0.74 GPR119 (0.59) SORDKCNH2GPR119KDM4EALDH1A1
SCHEMBL16222432 0.74 SMN1; SMN2 (0.60) SORDKCNH2GPR119KDM4EALDH1A1
SCHEMBL30556658 0.73 KDM4E (0.48) SORDKDM4EALDH1A1HSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178681-A1 BIPIPERIDINYL COMPOUNDS, COMPOSITIONS, CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 SORD 2313/4885KCNH2 1063/4885GPR119 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.